smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1nc2cc(-c3ccc(C(F)(F)F)cc3)[n-]n2c(=O)[n-]1	ZINC000096928218	185132107	/nfs/dbraw/zinc/13/21/07/185132107.db2.gz	TVAZTWVLGSJNRL-UHFFFAOYSA-N	-2	1	296.208	1.809	1	0		CDAFML
Nc1nc2c(s1)Cc1cccc(OCP(=O)([O-])[O-])c1-2	ZINC000045259341	175337125	/nfs/dbraw/zinc/33/71/25/175337125.db2.gz	UVWYMQWTZQHZHH-UHFFFAOYSA-N	-2	1	298.260	1.811	1	0	in-vitro	CDAFML
Nc1nc2c(s1)Cc1ccc(OCP(=O)([O-])[O-])cc1-2	ZINC000045299832	175354907	/nfs/dbraw/zinc/35/49/07/175354907.db2.gz	BGZPABIXYOYEPI-UHFFFAOYSA-N	-2	1	298.260	1.641	1	0		CDAFML
O=c1nc2c(-c3ccc(C(F)(F)F)cc3)c[n-]n2c(=O)[n-]1	ZINC000096928227	185131989	/nfs/dbraw/zinc/13/19/89/185131989.db2.gz	DDJDRANPXHGWTQ-UHFFFAOYSA-N	-2	1	296.208	1.809	1	0		CDAFML
Cc1cccnc1N[C@H]([P@](C)(=O)[O-])[P@](=O)([O-])O	ZINC000013887233	581092616	/nfs/dbraw/zinc/09/26/16/581092616.db2.gz	VSTKZMZIQPQQSU-MRVPVSSYSA-N	-2	1	280.157	1.163	1	0		CDAFML
O=C([O-])c1c(O)cc(O)cc1CC(=O)c1ccc([O-])cc1	ZINC000014768962	560226081	/nfs/dbraw/zinc/22/60/81/560226081.db2.gz	LNNHADLJQPXYGH-UHFFFAOYSA-N	-2	1	288.255	1.927	1	0	biogenic,in-vitro	CDAFML
Nc1nc2c(s1)Cc1cc(OCP(=O)([O-])[O-])ccc1-2	ZINC000045253361	175336902	/nfs/dbraw/zinc/33/69/02/175336902.db2.gz	XXHVVTVRRRETTD-UHFFFAOYSA-N	-2	1	298.260	1.811	1	0		CDAFML
O=c1nc2cc(-c3ccc(Cl)cc3)[n-]n2c(=O)[n-]1	ZINC000096924351	185131693	/nfs/dbraw/zinc/13/16/93/185131693.db2.gz	AYQPLBSTIHRPIT-UHFFFAOYSA-N	-2	1	262.656	1.444	1	0		CDAFML
Cc1cccnc1N[C@@H]([P@](C)(=O)[O-])[P@](=O)([O-])O	ZINC000001551185	581092600	/nfs/dbraw/zinc/09/26/00/581092600.db2.gz	VSTKZMZIQPQQSU-QMMMGPOBSA-N	-2	1	280.157	1.163	1	0		CDAFML
CC(C)C(=O)c1c([O-])c(C=O)c([O-])c(C=O)c1O	ZINC000013371246	560215243	/nfs/dbraw/zinc/21/52/43/560215243.db2.gz	PSNUSFYOZIRPMV-UHFFFAOYSA-N	-2	1	252.222	1.267	1	0	biogenic,in-vitro	CDAFML
O=S(=O)([O-])c1c(Cl)cc([O-])c2ncccc21	ZINC000005933627	170157680	/nfs/dbraw/zinc/15/76/80/170157680.db2.gz	NAJXFIVUOVYAAE-UHFFFAOYSA-N	-2	1	259.670	1.841	1	0		CDAFML
O=C([O-])C1N=C(c2ccc(Cl)cc2)[N-]C(=O)C1=O	ZINC000006142722	170179294	/nfs/dbraw/zinc/17/92/94/170179294.db2.gz	XNDKQQKHTBDWNQ-UHFFFAOYSA-N	-2	1	266.640	1.906	1	0		CDAFML
O=c1nc2c(-c3ccc(Cl)cc3)c[n-]n2c(=O)[n-]1	ZINC000096928225	185132170	/nfs/dbraw/zinc/13/21/70/185132170.db2.gz	AEDRZSGCECAVFJ-UHFFFAOYSA-N	-2	1	262.656	1.444	1	0		CDAFML
C/C(=C\CO[P@@](=O)([O-])O[P@@](=O)([O-])O)CF	ZINC000013524840	560218579	/nfs/dbraw/zinc/21/85/79/560218579.db2.gz	OAODEACEICJXDG-GORDUTHDSA-N	-2	1	264.082	1.129	1	0	in-vitro	CDAFML
C/C(=C\CO[P@@](=O)([O-])O[P@](=O)([O-])O)CF	ZINC000013524840	560218580	/nfs/dbraw/zinc/21/85/80/560218580.db2.gz	OAODEACEICJXDG-GORDUTHDSA-N	-2	1	264.082	1.129	1	0	in-vitro	CDAFML